5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal

C14H26O2Si — CID 50916847

IUPAC5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal
SMILESCCCC(CC#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h12-13H,7,10-11H2,1-6H3
InChIKeyJMWNOMOIVDKHKY-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal

5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal (PubChem CID 50916847) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal
PubChem CID50916847
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal
SMILESCCCC(CC#CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h12-13H,7,10-11H2,1-6H3
InChIKeyJMWNOMOIVDKHKY-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-((Tert-butyldimethylsilyl)oxy)pent-2-ynal
CID 14591859
4-((Tert-butyldimethylsilyl)oxy)-4-methylpent-2-ynal
CID 10889620
2-Hexynal, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10987965
7-[Tert-butyl(dimethyl)silyl]oxyhept-2-ynal
CID 11770577
(2S)-2,11-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 16116371
4-[Tert-butyl(dimethyl)silyl]oxypent-2-ynal
CID 18936558
5-(tert-Butyldimethylsilyloxy)-2-hexynal
CID 24763667
4-Trimethylsilyloxyhex-2-ynal
CID 87869285
tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane
CID 160746232
(4S)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
CID 10492162
(4R)-4-[tert-butyl(dimethyl)silyl]oxynon-2-ynal
CID 10587999
(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-ynal
CID 11368462

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal (CID 50916847) is 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal is CCCC(CC#CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal?
The InChIKey is JMWNOMOIVDKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h12-13H,7,10-11H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal?
5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal has a molecular weight of 254.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxyoct-2-ynal is sourced from PubChem (CID 50916847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).